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72456-86-1 | 4,6-dimethyl-2-(methylsulfanyl)pyridine-3-carbonitrile
CAS No: 72456-86-1 Catalog No: AG01ACSD MDL No:MFCD00124685
Product Description
Catalog Number:
AG01ACSD
Chemical Name:
4,6-dimethyl-2-(methylsulfanyl)pyridine-3-carbonitrile
CAS Number:
72456-86-1
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD00124685
IUPAC Name:
4,6-dimethyl-2-methylsulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H10N2S/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,1-3H3
InChI Key:
XKBIUWWLAZLZKL-UHFFFAOYSA-N
SMILES:
CSc1nc(C)cc(c1C#N)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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